SCHEMBL2226429

SCHEMBL2226429

CC(C)(C)[C@H](NC(=O)OCc1ccccc1)C(=O)N1CC[C@@H](NC(=O)O)C1

nearest known ligand 0.53

Predicted protein targets (top 12)

geneUniProtsupporting neighboursconfidence
CTSK P43235 8/20 0.50
HSD11B1 P28845 1/20 0.50
DPP4 P27487 5/20 0.49
DPP7 Q9UHL4 5/20 0.49
KCNH2 Q12809 3/20 0.49
CTSL P07711 5/20 0.49
CTSB P07858 3/20 0.49
CCR1 P32246 1/20 0.48
CTSS P25774 2/20 0.46
MEN1 O00255 1/20 0.44
KMT2A Q03164 1/20 0.44
PREP P48147 2/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL2226432 1.00 CTSK (0.50) CTSKHSD11B1DPP4DPP7KCNH2
SCHEMBL3320633 0.84 CCR1 (0.55) CTSKDPP4DPP7KCNH2CTSL
SCHEMBL6875228 0.84 USP30 (0.51) CTSKHSD11B1DPP4DPP7KCNH2
SCHEMBL6135874 0.82 MEN1 (0.55) CCR1MEN1KMT2A
SCHEMBL7370466 0.80 ALDH1A1 (0.56) CTSKCTSLCTSBCTSS
SCHEMBL3321981 0.79 CCR1 (0.48) CTSKCTSLCTSBCCR1CTSS
SCHEMBL13798752 0.79 MEN1 (0.55) CTSKCTSLCTSBCCR1CTSS
SCHEMBL7372949 0.78 MMP2 (0.57) CTSKMEN1KMT2A
SCHEMBL3318502 0.77 SRD5A1 (0.55) CTSKCTSLCCR1CTSSKMT2A
SCHEMBL3320205 0.77 CCR1 (0.48) CTSKCTSLCCR1CTSSPREP

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2011091410-A1 TRPV4 ANTAGONISTS GLAXOS SMITHKLINE LLC (US) 2011-07-28 WO disclosed